Phyto-nanoemulsion for Skin Whitening: In silico Activity Prediction, Formulation Development and Cell Line Studies

A dramatic increase in skin related disorders is apparent on account of the extensive use of synthetic skin whitening agents (antimelanogenesis). Pollution and occupational hazards have further led to the increased melanin synthesis (hyperpigmentation) amongst the exposed population. Consequently, herbal and/or its combination with the synthetic skin whitening agents have eroded share of existing skin whitening cosmetic formulations. Current research was aimed at the rational development of a cost-effective plant-based antimelanogenic formulation containing phytoactives as a promising option for skin whitening. Total 112 phytoconstituents were screened for antimelanogenic activity using in silico docking protocol against the enzyme tyrosinase responsible for melanogenesis. The binding energy score, π–π, charge and hydrogen interactions were utilized to identify ‘lead’ molecules. The PASS online tool was utilized to forecast the skin whitening activity for selected phytochemicals. Subsequently, selected plant extracts were formulated into nanoemulsion and evaluated for antimelanogenic activity in B16F10 cell lines. The in silico data revealed that, kuwanol, sesamolin, rosmarinic acid, astragalin, folic acid, riboflavin, sesaminol, albanol, sesamin, rutin, moracin-O holds potential as antimelanogenic leads. The developed nanoemulsion was significantly better than standard marketed gel, even at a lesser concentration (P<0.05). The potential antimelanogenic activity of nanoemulsion was evident from the B16F10 cell lines. Virtual screening of phytoconstituents has been demonstrated to be a powerful tool in the discovery of probable skin whitening leads. The rationally developed skin whitening nanoemulsion has been found to be superior over the marketed formulation. Thus, developed skin whitening phytonanoemulsion holds great translational promise to clinical studies.